Anhydroamarouciaxanthin B

Properties Image MNX_ID MNXM119188 reference hmdb:HMDB0036911 formula C40H50O3 global charge 0 mol weight 578.837 InChIKey VLTTXUMXZICUTM-PTOXRNNBSA-N InChI InChI=1S/C40H50O3/c1-28(17-13-18-30(3)21-22-36-32(5)23-34(41)26-39(36,7)8)15-11-12-16-29(2)19-14-20-31(4)38(43)25-37-33(6)24-35(42)27-40(37,9)10/h11-20,24-25,34,41H,23,26-27H2,1-10H3/b12-11-,17-13+,19-14+,28-15-,29-16-,30-18-,31-20-,37-25+ SMILES CC1=CC(=O)CC(C)(C)/C1=C/C(=O)/C(C)=C\C=C\C(C)=C/C=C\C=C(C)/C=C/C=C(/C)C#CC1=C(C)CC(O)CC1(C)C MNX internals InChI (mnx) InChI=1/C40H50O3/c1-28(17-13-18-30(3)21-22-36-32(5)23-34(41)26-39(36,7)8)15-11-12-16-29(2)19-14-20-31(4)38(43)25-37-33(6)24-35(42)27-40(37,9)10/h11-20,24-25,34,41H,23,26-27H2,1-10H3/b12-11-,17-13+,19-14+,28-15-,29-16-,30-18-,31-20-,37-25+/t34? SMILES (mnx) [CH3:1][C:28](=[CH:15]/[CH:11]=[CH:12]\[CH:16]=[C:29]([CH3:2])/[CH:19]=[CH:14]/[CH:20]=[C:31](/[CH3:4])[C:38](/[CH:25]=[C:37]1\[C:33]([CH3:6])=[CH:24][C:35](=[O:42])[CH2:27][C:40]1([CH3:9])[CH3:10])=[O:43])/[CH:17]=[CH:13]/[CH:18]=[C:30](/[CH3:3])[C:21]#[C:22][C:36]1=[C:32]([CH3:5])[CH2:23][CH:34]([OH:41])[CH2:26][C:39]1([CH3:7])[CH3:8]

Parent-child relations graph

Occurences in reactions #reac in my sandbox 0 in MNXref (generic) 0 in models (compartimentalized) 0